79456-26-1

2-氨基-3-氯-5-三氟甲基吡啶(79456-26-1)红外图谱(IR2)

产品名称:2-氨基-3-氯-5-三氟甲基吡啶

CAS:79456-26-1

分子式:C6H4ClF3N2

分子量: 196.56

InChI:InChI=1S/C6H4ClF3N2/c7-4-1-3(6(8,9)10)2-12-5(4)11/h1-2H,(H2,11,12)

InChIKey: WXNPZQIRDCDLJD-UHFFFAOYSA-N

Smiles:C1(N)=NC=C(C(F)(F)F)C=C1Cl

Mass

MS-IW-2630          
3-chloro-5-trifluoromethyl-2-pyridylamine
C6H4ClF3N2          (Mass of molecular ion:    196)

   Source Temperature: 230 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      28.0      10.8
      31.0       3.1
      36.0       1.2
      37.0       4.5
      38.0       3.8
      39.0       1.6
      40.0       1.4
      42.0       1.1
      43.0       1.2
      47.0       1.1
      48.0       1.8
      49.0       1.6
      50.0       4.1
      51.0       2.0
      52.0       5.0
      53.0       2.3
      56.0       1.8
      57.0       4.4
      60.0       1.0
      62.0       2.3
      63.0       3.2
      64.0       7.2
      65.0       7.8
      66.0       2.1
      68.0       1.1
      69.0       9.5
      70.0       1.2
      71.0       2.7
      72.0       1.9
      73.0       4.0
      74.0       2.2
      75.0       7.6
      76.0       1.9
      82.0       2.0
      83.0       1.0
      84.0       2.1
      85.0       1.3
      86.0       1.0
      87.0       3.1
      88.0       1.9
      89.0       3.4
      90.0       2.1
      91.0       4.6
      92.0       2.4
      93.0       1.8
      94.0       1.6
      98.0       2.8
      99.0       1.8
     100.0       2.1
     106.0       1.7
     107.0       7.3
     113.0       1.6
     114.0      14.8
     115.0       2.1
     119.0       4.0
     121.0       1.7
     122.0       1.9
     123.0       1.5
     132.0       2.2
     133.0       2.1
     134.0       5.8
     141.0      48.2
     142.0       4.1
     143.0       1.2
     146.0       3.0
     148.0       2.4
     149.0       2.7
     150.0       6.9
     151.0       1.2
     152.0       2.1
     157.0       1.0
     161.0      26.3
     162.0       2.0
     168.0       2.8
     169.0      23.9
     170.0       2.3
     171.0       7.8
     175.0       2.5
     177.0      17.7
     178.0       1.3
     179.0       5.4
     196.0     100.0
     197.0       7.8
     198.0      32.9
     199.0       2.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₄ Cl F₃ N₂	0.042 g : 0.5 ml CDCl₃
3-chloro-5-trifluoromethyl-2-pyridylamine

    Assign.     Shift(ppm)

      A             8.24
      B             7.700
      C             5.61

     Hz     ppm     Int.

   3292.36   8.239    590
   3078.37   7.703   1000
   3076.54   7.699    985
   2283.81   5.715     21
   2283.08   5.713     22
   2282.10   5.711     23
   2281.86   5.710     23
   2281.25   5.709     23
   2242.68   5.612    326
   2208.13   5.526     26
   2207.76   5.525     25
   2206.42   5.521     23
   2205.44   5.519     22
   2205.08   5.518     22

in CDCl3